Dy2Zr2Re3
Alexandria ALEXAlex-ID: agm010112929 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_246_spg2
Zr21Re25 ZrRe2 Dy
2024-06-28 10:31:38.734576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010112929).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm010112929
data_agm010112929
_cell_length_a 5.93866
_cell_length_b 5.93866
_cell_length_c 5.58105
_cell_angle_alpha 84.40884
_cell_angle_beta 84.40884
_cell_angle_gamma 46.52306
_cell_volume 142.02508
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.72648 0.72648 0.68353 1.00000
Dy2 Dy 0.27352 0.27352 0.31647 1.00000
Zr1 Zr 0.56974 0.56974 0.22049 1.00000
Zr2 Zr 0.43026 0.43026 0.77951 1.00000
Re1 Re 0.00000 0.00000 0.50000 1.00000
Re2 Re 0.88795 0.88795 0.08622 1.00000
Re3 Re 0.11205 0.11205 0.91378 1.00000
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